Information card for entry 1551553

Structure parameters

• Formula: C62 H100 B N8 Na Ni4 O14
• Calculated formula: C62 H100 B N8 Na Ni4 O14
• SMILES: [Ni]12345[O]6[Ni]78([O]=C(O1)C)([O]=C([O]8[Na]1([O]3C(=[O]2)C)[O]2[Ni]389([O]%10[Ni]%11%12(OC(=[O]3)C)([O]=C([O]1%12)C)[N](CC%10C[N]8(CC[N]9(C)C)C)(C)CC[N]%11(C)C)[O]=C2C)C)[N](C)(C)CC[N]7(C)CC6C[N]4(C)CC[N]5(C)C.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Pentanuclear Complex Formed between Dinuclear Nickel(II) Complexes and Sodium Ion
• Authors of publication: MOCHIZUKI, Katsura
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2018
• Journal volume: 34
• Journal issue: 0
• Pages of publication: 25
• a: 10.841 ± 0.003 Å
• b: 19.161 ± 0.005 Å
• c: 20.415 ± 0.005 Å
• α: 116.929 ± 0.018°
• β: 92.97 ± 0.019°
• γ: 101.485 ± 0.013°
• Cell volume: 3655.9 ± 1.8 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0689
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No